Polarization models built from monomer multipoles and polarizabilities plus dimer Reg-SAPT(DFT) energies reproduce many-body non-additive energies of water clusters to near fitted-model accuracy.
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First-principles many-body non-additive polarization energies from monomer and dimer calculations only : A case study on water
Polarization models built from monomer multipoles and polarizabilities plus dimer Reg-SAPT(DFT) energies reproduce many-body non-additive energies of water clusters to near fitted-model accuracy.